iterations/neb0_image02_iter118_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.364900719774E+03 0.36490E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.446542102390E+01 -0.36044E+03 -0.34589E+03 826 0.195E+02
DAV: 3 -0.956467336565E+02 -0.10011E+03 -0.99781E+02 680 0.116E+02
DAV: 4 -0.100212634520E+03 -0.45659E+01 -0.45549E+01 712 0.284E+01
DAV: 5 -0.100299741866E+03 -0.87107E-01 -0.87071E-01 728 0.353E+00 0.222E+01
DAV: 6 -0.916697935293E+02 0.86299E+01 -0.31001E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908508229316E+02 0.81897E+00 -0.18440E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904666504076E+02 0.38417E+00 -0.55578E-01 704 0.427E+00 0.169E+00
DAV: 9 -0.903770368804E+02 0.89614E-01 -0.13906E-01 704 0.166E+00 0.432E-01
DAV: 10 -0.903709304913E+02 0.61064E-02 -0.49101E-02 704 0.130E+00 0.326E-01
DAV: 11 -0.903745204604E+02 -0.35900E-02 -0.73735E-03 608 0.506E-01 0.147E-01
DAV: 12 -0.903779804849E+02 -0.34600E-02 -0.79647E-03 624 0.490E-01 0.139E-01
DAV: 13 -0.903805434229E+02 -0.25629E-02 -0.17982E-03 912 0.352E-01 0.800E-02
DAV: 14 -0.903836682120E+02 -0.31248E-02 -0.14447E-03 640 0.182E-01 0.621E-02
DAV: 15 -0.903858204025E+02 -0.21522E-02 -0.35459E-04 677 0.105E-01 0.470E-02
DAV: 16 -0.903873572665E+02 -0.15369E-02 -0.80765E-04 653 0.165E-01 0.351E-02
DAV: 17 -0.903882009423E+02 -0.84368E-03 -0.14819E-04 669 0.836E-02 0.247E-02
DAV: 18 -0.903883859315E+02 -0.18499E-03 -0.70170E-05 688 0.423E-02 0.103E-02
DAV: 19 -0.903885621910E+02 -0.17626E-03 -0.29306E-05 530 0.278E-02 0.383E-03
DAV: 20 -0.903886145820E+02 -0.52391E-04 -0.57842E-06 477 0.157E-02 0.522E-03
DAV: 21 -0.903886458236E+02 -0.31242E-04 -0.57871E-06 429 0.145E-02 0.564E-03
DAV: 22 -0.903886709844E+02 -0.25161E-04 -0.50475E-06 463 0.136E-02 0.309E-03
DAV: 23 -0.903886731486E+02 -0.21642E-05 -0.51309E-06 544 0.127E-02
1 F= -.90388673E+02 E0= -.90394408E+02 d E =0.172037E-01